[(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium

C7H15N2O+ — CID 87281562

IUPAC[(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(\O)C=[N+](C)C
InChIInChI=1S/C7H14N2O/c1-8(2)5-7(10)6-9(3)4/h5-6H,1-4H3/p+1
InChIKeyGPHJJCQFSADGRS-UHFFFAOYSA-O
MW143.21 g/mol
LogP0.29
Rot. Bonds2

About [(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium

[(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium (PubChem CID 87281562) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium
PubChem CID87281562
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name[(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(\O)C=[N+](C)C
InChIInChI=1S/C7H14N2O/c1-8(2)5-7(10)6-9(3)4/h5-6H,1-4H3/p+1
InChIKeyGPHJJCQFSADGRS-UHFFFAOYSA-O
XLogP0.29
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium (CID 87281562) is [(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium is CN(C)/C=C(\O)C=[N+](C)C.
What is the InChIKey of [(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium?
The InChIKey is GPHJJCQFSADGRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O/c1-8(2)5-7(10)6-9(3)4/h5-6H,1-4H3/p+1.
What are the key properties of [(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium?
[(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium has a molecular weight of 143.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-hydroxyprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 87281562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).